(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one

C12H22O2Si — CID 11128022

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=CC(=O)C1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyLGSMHNRGYIVLGA-NSHDSACASA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds2

About (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one

(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one (PubChem CID 11128022) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
PubChem CID11128022
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=CC(=O)C1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyLGSMHNRGYIVLGA-NSHDSACASA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one (CID 11128022) is (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@H]1CC=CC(=O)C1.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
The InChIKey is LGSMHNRGYIVLGA-NSHDSACASA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one?
(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one is sourced from PubChem (CID 11128022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).